N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide

C17H18ClNO3S — CID 2299024

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-21-16-11-14(23-2)7-8-15(16)17(20)19-9-10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFRTYVVBXBAZMAT-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2299024) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2299024
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-21-16-11-14(23-2)7-8-15(16)17(20)19-9-10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFRTYVVBXBAZMAT-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 85542
N-(2-(4-chloro-2-methylphenoxy)ethyl)thiophene-2-carboxamide
CID 592973
5-chloro-2-methoxy-N-(2-phenylethyl)benzamide
CID 118575
2-methoxy-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 748516
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(2-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 614249
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-(methylthio)benzamide
CID 614251
2-chloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-5-methylsulfanylbenzamide
CID 1822243
2-chloro-N-[2-(4-ethylphenoxy)ethyl]-5-methylsulfanylbenzamide
CID 2174530
2-methoxy-4-(methylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 2889735
N-cyclohexyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842497
N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide
CID 595570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide (CID 2299024) is N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is FRTYVVBXBAZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-21-16-11-14(23-2)7-8-15(16)17(20)19-9-10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 351.86 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2299024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).